WAY-324093 - 10mM in DMSO , CAS No.372171-81-8

CAS: 372171-81-8 Cat. No.: W423671 Molecular Weight: 355.5 PubChem CID: 1900101

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

acetylcholinesterase inhibitor

Specifications

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Product Properties

• ALogP: 4.539
• HBD Count: 1
• Rotatable Bond: 5

Names and Identifiers

• Canonical Smiles: CCC1=NC2=C(C3=C1CCCC3)C4=C(S2)C(=NC=N4)NCCN(C)C
• IUPAC Name: N-(8-ethyl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)-N',N'-dimethylethane-1,2-diamine
• InChIKey: IHHAGZWQEFITLI-UHFFFAOYSA-N
• INCHI: 1S/C19H25N5S/c1-4-14-12-7-5-6-8-13(12)15-16-17(25-19(15)23-14)18(22-11-21-16)20-9-10-24(2)3/h11H,4-10H2,1-3H3,(H,20,21,22)
• Isomeric SMILES: CCC1=NC2=C(C3=C1CCCC3)C4=C(S2)C(=NC=N4)NCCN(C)C
• PubChem CID: 1900101
• Molecular Weight: 355.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thienopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thienopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienopyrimidines
• Alternative Parents: Thienopyridines Secondary alkylarylamines Aminopyrimidines and derivatives Pyridines and derivatives Imidolactams Thiophenes Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thienopyridine - Thienopyrimidine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Pyridine - Pyrimidine - Imidolactam - Thiophene - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Secondary amine - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• DMSO(mM) Max Solubility: 10